- InChI
- InChI=1S/C15H20O6/c1-11(2)8-20-14(16)9-19-10-15(17)21-13-6-4-12(18-3)5-7-13/h4-7,11H,8-10H2,1-3H3
- InChI Key
- YPRNQBQCGYPSII-UHFFFAOYSA-N
- Formula
- C15H20O6
- SMILES
-
COc1ccc(OC(=O)COCC(=O)OCC(C)C)
cc1 - Molecular Weight1
- 296.32
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -502.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -887.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.67 | kJ/mol | Joback Calculated Property |
| log10WS | -2.12 | Crippen Calculated Property | |
| logPoct/wat | 1.816 | Crippen Calculated Property | |
| McVol | 225.070 | ml/mol | McGowan Calculated Property |
| Pc | 1930.44 | kPa | Joback Calculated Property |
| Inp | [2673.00; 2673.00] |
|
|
| Inp | 2673.00 | NIST | |
| Inp | 2673.00 | NIST | |
| Tboil | 771.24 | K | Joback Calculated Property |
| Tc | 975.76 | K | Joback Calculated Property |
| Tfus | 471.53 | K | Joback Calculated Property |
| Vc | 0.846 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [648.82; 718.55] | J/mol×K | [771.24; 975.76] |
|
| Cp,gas | 648.82 | J/mol×K | 771.24 | Joback Calculated Property |
| Cp,gas | 663.09 | J/mol×K | 805.33 | Joback Calculated Property |
| Cp,gas | 676.33 | J/mol×K | 839.41 | Joback Calculated Property |
| Cp,gas | 688.51 | J/mol×K | 873.50 | Joback Calculated Property |
| Cp,gas | 699.61 | J/mol×K | 907.59 | Joback Calculated Property |
| Cp,gas | 709.63 | J/mol×K | 941.67 | Joback Calculated Property |
| Cp,gas | 718.55 | J/mol×K | 975.76 | Joback Calculated Property |
| η | [0.0000569; 0.0005370] | Pa×s | [471.53; 771.24] |
|
| η | 0.0005370 | Pa×s | 471.53 | Joback Calculated Property |
| η | 0.0003088 | Pa×s | 521.48 | Joback Calculated Property |
| η | 0.0001956 | Pa×s | 571.43 | Joback Calculated Property |
| η | 0.0001334 | Pa×s | 621.38 | Joback Calculated Property |
| η | 0.0000962 | Pa×s | 671.34 | Joback Calculated Property |
| η | 0.0000727 | Pa×s | 721.29 | Joback Calculated Property |
| η | 0.0000569 | Pa×s | 771.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isobutyl 4-methoxyphenyl ester.
Sources
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